General Information of This Peptide
Peptide ID
PEP01086
Peptide Name
GRDWQSCMEYKTHN
Structure
Sequence
GRDWQSCMEYKTHN
Peptide Type
Linear
PDC Transmembrane Types Cell targeting peptides (CTPs)
Formula
C73H107N23O24S2
Isosmiles
[H]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS[H])NC(=O)[C@H](CO[H])NC(=O)[C@H](CCC(=O)N[H])NC(=O)[C@H](Cc1cn([H])c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC/N=C(/N)N[H])NC(=O)CN[H])C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1cn([H])cn1)C(=O)N[C@@H](CC(=O)N[H])C(=O)O)[C@@H](C)O[H]
InChI
InChI=1S/C73H107N23O24S2/c1-35(98)59(71(118)92-49(26-38-31-80-34-83-38)67(114)93-51(72(119)120)27-55(77)101)96-64(111)43(10-5-6-21-74)85-65(112)47(24-36-12-14-39(99)15-13-36)89-61(108)45(17-19-57(103)104)86-63(110)46(20-23-122-2)88-70(117)53(33-121)95-69(116)52(32-97)94-62(109)44(16-18-54(76)100)87-66(113)48(25-37-30-82-41-9-4-3-8-40(37)41)90-68(115)50(28-58(105)106)91-60(107)42(84-56(102)29-75)11-7-22-81-73(78)79/h3-4,8-9,12-15,30-31,34-35,42-53,59,82,97-99,121H,5-7,10-11,16-29,32-33,74-75H2,1-2H3,(H2,76,100)(H2,77,101)(H,80,83)(H,84,102)(H,85,112)(H,86,110)(H,87,113)(H,88,117)(H,89,108)(H,90,115)(H,91,107)(H,92,118)(H,93,114)(H,94,109)(H,95,116)(H,96,111)(H,103,104)(H,105,106)(H,119,120)(H4,78,79,81)/t35-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,59+/m1/s1
InChIKey
ZHJVYUDCXQGVAK-GVFDAIPLSA-N
Pharmaceutical Properties
Molecule Weight
1754.93
Polar area
797.98
Complexity
1753.730073
xlogp Value
-9.3108
Heavy Count
122
Rot Bonds
63
Hbond acc
27
Hbond Donor
28
Each Peptide-drug Conjugate Related to This Peptide